SCHEMBL8250416

SCHEMBL8250416

C#CCCC(NC(=O)[C@@H]1[C@H]2CCC3(CC3)[C@H]2CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)[S+](C)[O-])C(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC=C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ CMA1 P23946 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CTSF Q9UBX1 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8250181 0.94 CTSV (0.33) CTSVCTSLCTSBELANECMA1
SCHEMBL8243002 0.93 CTSB (0.34) CTSVCTSLCTSBELANECMA1
SCHEMBL8247127 0.92 — —
SCHEMBL8254714 0.91 CTSV (0.32) CTSVCTSLCTSBELANECMA1
SCHEMBL8240877 0.91 ELANE (0.39) CTSVCTSLCTSBELANECMA1
SCHEMBL8240882 0.91 — —
SCHEMBL8250386 0.90 ELANE (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL8248107 0.90 CTSV (0.32) CTSVCTSLCTSBELANECMA1
SCHEMBL8253670 0.86 — —
SCHEMBL13225016 0.85 CTSV (0.33) CTSVCTSLCTSBELANECMA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
Send feedback